N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-1-pyrrolidin-1-ylsulfonyl-piperidine-3-carboxamide CAS Name: N-[5-[(1-methyl-3-indolyl)methyl]-1,3,4-thiadiazol-2-yl]-1-(1-pyrrolidinylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]-1-pyrrolidinosulfonyl-nipecotamide Formula: C22H28N6O3S2 MolecularWeight: 488.62612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3=NN=C(S3)NC(=O)C4CCCN(C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3=NN=C(S3)NC(=O)C4CCCN(C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H28N6O3S2/c1-26-14-17(18-8-2-3-9-19(18)26)13-20-24-25-22(32-20)23-21(29)16-7-6-12-28(15-16)33(30,31)27-10-4-5-11-27/h2-3,8-9,14,16H,4-7,10-13,15H2,1H3,(H,23,25,29)